2-[[(2S)-2-(4-dimethylaminophenyl)-3-[(5-methyl-2-oxidanyl-phenyl)methyl]imidazolidin-1-ium-1-yl]methyl]-4-methyl-phenol

Systemtic Name: 2-[[(2S)-2-(4-dimethylaminophenyl)-3-[(5-methyl-2-oxidanyl-phenyl)methyl]imidazolidin-1-ium-1-yl]methyl]-4-methyl-phenol Openeye Name: 2-[[(2S)-2-(4-dimethylaminophenyl)-3-[(2-hydroxy-5-methyl-phenyl)methyl]imidazolidin-1-ium-1-yl]methyl]-4-methyl-phenol CAS Name: 2-[[(2S)-2-(4-dimethylaminophenyl)-3-[(2-hydroxy-5-methylphenyl)methyl]-1-imidazolidin-1-iumyl]methyl]-4-methylphenol IUPAC Name: 2-[[(2S)-2-(4-dimethylaminophenyl)-3-[(2-hydroxy-5-methylphenyl)methyl]imidazolidin-1-ium-1-yl]methyl]-4-methylphenol Traditional Name: 2-[[(2S)-2-(4-dimethylaminophenyl)-3-(2-hydroxy-5-methyl-benzyl)imidazolidin-1-ium-1-yl]methyl]-4-methyl-phenol Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C[NH+]2CCN(C2C3=CC=C(C=C3)N(C)C)CC4=C(C=CC(=C4)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C[NH+]2CCN([C@@H]2C3=CC=C(C=C3)N(C)C)CC4=C(C=CC(=C4)C)O

InChI

InChI=1S/C27H33N3O2/c1-19-5-11-25(31)22(15-19)17-29-13-14-30(18-23-16-20(2)6-12-26(23)32)27(29)21-7-9-24(10-8-21)28(3)4/h5-12,15-16,27,31-32H,13-14,17-18H2,1-4H3/p+1